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IUPAC name:
trisodium 5-({4-chloro-6-[ethyl(phenyl)amino]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate

Inventory

EC number:
276-911-4
EC name:
Trisodium 5-[[4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate
CAS number:
72829-25-5
CAS number:
72829-25-5
Synonyms
Names:
2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-(ethylphenylamino) -1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2 -sulfophenyl)azo]-, trisodium salt
2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfophenyl)azo]-, trisodium salt
Identifier:
IUPAC name
trisodium 5-({4-chloro-6-[ethyl(phenyl)amino]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(E)-2-(2-sulfonatophenyl)diazen-1-yl]naphthalene-2,7-disulfonate
Identifier:
other: InChl
1S/C27H22ClN7O10S3.3Na/c1-2-35(16-8-4-3-5-9-16)27-31-25(28)30-26(32-27)29-19-14-17(46(37,38)39)12-15-13-21(48(43,44)45)23(24(36)22(15)19)34-33-18-10-6-7-11-20(18)47(40,41)42;;;/h3-14,36H,2H2,1H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,29,30,31,32);;;/q;3*+1/p-3/b34-33+;;;
Identifier:
other: Molecular formula
C27-H22-Cl-N7-O10-S3.3Na
Identifier:
other: Molecular formula
C27H19ClN7O10S3.3Na
Identifier:
other: SMILES notation
[Na+].[Na+].[Na+].c1c(c(c(c2c(cc(cc12)S(=O)(=O)[O-])Nc1nc(nc(n1)Cl)N(c1ccccc1)CC)O)\N=N\c1c(cccc1)S(=O)(=O)[O-])S(=O)(=O)[O-]

Molecular and structural information

Molecular formula:
C27H22ClN7O10S3.3Na
Molecular weight:
802.098
SMILES notation:
[Na+].[Na+].[Na+].Clc4nc(Nc2cc(cc3cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(n4)N(CC)c5ccccc5
InChl:
InChI=1/C27H22ClN7O10S3.3Na/c1-2-35(16-8-4-3-5-9-16)27-31-25(28)30-26(32-27)29-19-14-17(46(37,38)39)12-15-13-21(48(43,44)45)23(24(36)22(15)19)34-33-18-10-6-7-11-20(18)47(40,41)42;;;/h3-14,36H,2H2,1H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,29,30,31,32);;;/q;3*+1/p-3
Structural formula:
Chemical structure

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